N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide

C13H9F3N2O3S3 — CID 45106785

IUPACN-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(-c2cc(C(F)(F)F)no2)s1
InChIInChI=1S/C13H9F3N2O3S3/c14-13(15,16)11-6-9(21-18-11)10-3-4-12(23-10)24(19,20)17-7-8-2-1-5-22-8/h1-6,17H,7H2
InChIKeyWQCDVNDZJIGVHR-UHFFFAOYSA-N
MW394.42 g/mol
LogP3.96
Rot. Bonds5

About N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide

N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide (PubChem CID 45106785) has the molecular formula C13H9F3N2O3S3 and a molecular weight of 394.42 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
PubChem CID45106785
Molecular FormulaC13H9F3N2O3S3
Molecular Weight394.42 g/mol
Exact Mass393.97
IUPAC NameN-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(-c2cc(C(F)(F)F)no2)s1
InChIInChI=1S/C13H9F3N2O3S3/c14-13(15,16)11-6-9(21-18-11)10-3-4-12(23-10)24(19,20)17-7-8-2-1-5-22-8/h1-6,17H,7H2
InChIKeyWQCDVNDZJIGVHR-UHFFFAOYSA-N
XLogP3.96
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N~2~-ethyl-5-(3-methyl-5-isoxazolyl)-N~2~-phenyl-2-thiophenesulfonamide
CID 16024985
1-Methyl-4-{[5-(3-methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20936233
3-[5-(tetrahydro-1H-pyrrol-1-ylsulfonyl)-2-thienyl]-5-(trifluoromethyl)isoxazole
CID 2823119
3-Methyl-5-[5-(piperidinosulfonyl)-2-thienyl]isoxazole
CID 20936285
N-[(4-methylphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025196
3-Methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
CID 20936239
5-(3-methyl-1,2-oxazol-5-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 16024975
N,N-Dimethyl-5-[5-(trifluoromethyl)-3-isoxazolyl]-2-thiophenesulfonamide
CID 542127
5-(3-Methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride
CID 53212015
N-(2-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16025003
1-Ethyl-4-{[5-(3-methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20936267
N-cyclohexyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
CID 45106723

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide (CID 45106785) is N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide is O=S(=O)(NCc1cccs1)c1ccc(-c2cc(C(F)(F)F)no2)s1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The InChIKey is WQCDVNDZJIGVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O3S3/c14-13(15,16)11-6-9(21-18-11)10-3-4-12(23-10)24(19,20)17-7-8-2-1-5-22-8/h1-6,17H,7H2.
What are the key properties of N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide has a molecular weight of 394.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 45106785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).